Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.53 |
| ▸ | CA1 | P00915 | 8/20 | 0.50 |
| ▸ | CA2 | P00918 | 8/20 | 0.50 |
| ▸ | CA7 | P43166 | 8/20 | 0.50 |
| ▸ | CA9 | Q16790 | 8/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL617317 | 0.86 | KDM4E (0.58) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL11103515 | 0.85 | KDM4E (0.63) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8315630 | 0.82 | KDM4E (0.48) | CA1CA2CA7CA9KDM4E | |
| SCHEMBL13339672 | 0.82 | HDAC3 (0.53) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3494834 | 0.82 | KMT2A (0.54) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3494832 | 0.82 | KMT2A (0.54) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL3494948 | 0.81 | HDAC3 (0.52) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL261598 | 0.81 | HDAC3 (0.67) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL1175762 | 0.80 | HDAC3 (0.60) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2506785 | 0.80 | HDAC3 (0.57) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |